Drug Information

Drug General Information
Drug ID
D0F7SE
Former ID
DNC009677
Drug Name
C[RGDf-(3R)-Carboxymorpholine]
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529951]
Structure
Download
2D MOL

3D MOL
Formula
C26H36N8O8
Canonical SMILES
C1COCC2N1C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCCN=C(N)N<br />)CC(=O)O)CC3=CC=CC=C3
InChI
1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19+/m0/s1
InChIKey
HKLGBIAIHDSNGD-INDMIFKZSA-N
PubChem Compound ID
44123805
Target and Pathway
Target(s) Integrin alpha-V Target Info Inhibitor [529951]
KEGG Pathway Phagosome
PI3K-Akt signaling pathway
Focal adhesion
ECM-receptor interaction
Cell adhesion molecules (CAMs)
Regulation of actin cytoskeleton
Thyroid hormone signaling pathway
Pathways in cancer
Proteoglycans in cancer
Small cell lung cancer
Hypertrophic cardiomyopathy (HCM)
Arrhythmogenic right ventricular cardiomyopathy (ARVC)
Dilated cardiomyopathy
PANTHER Pathway Integrin signalling pathway
CCKR signaling map ST
Pathway Interaction Database Beta1 integrin cell surface interactions
Integrin family cell surface interactions
Beta3 integrin cell surface interactions
S1P3 pathway
Osteopontin-mediated events
Arf6 trafficking events
Nectin adhesion pathway
S1P1 pathway
CXCR4-mediated signaling events
Plexin-D1 Signaling
Integrins in angiogenesis
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
PDGFR-beta signaling pathway
PDGFR-alpha signaling pathway
Beta5 beta6 beta7 and beta8 integrin cell surface interactions
Signaling events mediated by VEGFR1 and VEGFR2
Signaling events mediated by focal adhesion kinase
Reactome Cross-presentation of particulate exogenous antigens (phagosomes)
Elastic fibre formation
PECAM1 interactions
Molecules associated with elastic fibres
Integrin cell surface interactions
Laminin interactions
Syndecan interactions
ECM proteoglycans
VEGFA-VEGFR2 Pathway
WikiPathways Osteoblast Signaling
Focal Adhesion
Class I MHC mediated antigen processing & presentation
Syndecan interactions
Extracellular matrix organization
Elastic fibre formation
Primary Focal Segmental Glomerulosclerosis FSGS
Arrhythmogenic Right Ventricular Cardiomyopathy
Integrin-mediated Cell Adhesion
L1CAM interactions
Integrin cell surface interactions
Cell surface interactions at the vascular wall
Osteopontin Signaling
References
Ref 529951Bioorg Med Chem. 2009 Feb 15;17(4):1542-9. Epub 2009 Jan 13.Morpholine-based RGD-cyclopentapeptides as alphavbeta3/alphavbeta5 integrin ligands: role of configuration towards receptor binding affinity.
Ref 529951Bioorg Med Chem. 2009 Feb 15;17(4):1542-9. Epub 2009 Jan 13.Morpholine-based RGD-cyclopentapeptides as alphavbeta3/alphavbeta5 integrin ligands: role of configuration towards receptor binding affinity.

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